Superimpose a set of protein structures and report a RSMD matrix, in CSV and Mega-compatible formats, using Pymol as a module

Create pseudoatoms at the centroid of the catalytic atoms of a residue

Performs large-scale ligand identification, curation and extraction from human structures in the Protein Data Bank.

This script aims at reading a given PDB file and generation dihedral angles from it.

Understanding the relationship between amino acid sequence and protein function is a long-standing problem in molecular biology with far-reaching scientific implications.

PSIQUE is a geometry-based secondary structure assignment method based on DFT calculations

InteractoMIX: a suite of computational tools to exploit interactomes in biological and clinical research.

Alignement structurale d'une séquence protéique sur une structure protéique 3D.

Mapping Pharos Targets to PDB IDs

Course schedule from experience as a selected Undergraduate Teaching Assistant at the University of Pittsburgh course, BIOSC 1540 - Computational Structural Biology, taught by Dr. Jacob Durrant.

classification of human cdk2 conformations

This repository contains codes for the regeneration of figures 3b and 3g in Tam, C., Kukimoto-Niino, M., Miyata-Yabuki, Y. et al. Targeting Ras-binding domain of ELMO1 by computational nanobody design. Commun Biol 6, 284 (2023).

PPM.Mk.I.Beta

an addon to create proteins

PSIST algorithm to index and query 3D protien structures

Meta-Bio-Cargo predict #Ru-Bi-CO-S protein

This is a plugin for PyMol 2.x under Windows to find and show Ca-ion sites in a protein structure in pdb format using the Feature program.